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Concept information

Preferred term

cytosaminomycin a  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C22H34N4O8S

inchi

  • InChI=1S/C22H34N4O8S/c1-11-17(25(3)4)18(29)19(30)21(33-11)34-20-12(2)32-16(10-13(20)27)26-8-6-14(24-22(26)31)23-15(28)7-9-35-5/h6-9,11-13,16-21,27,29-30H,10H2,1-5H3,(H,23,24,28,31)/b9-7+/t11-,12-,13-,16-,17-,18+,19-,20-,21-/m1/s1

inchikey

  • OEIFFRHFKRNPAL-ZQEFWBPISA-N

mass

  • 514.590

monoisotopicmass

  • 514.20974

smiles

  • S(/C=C/C(=O)NC1=NC(=O)N([C@@H]2O[C@@H]([C@@H](O[C@H]3O[C@@H]([C@@H](N(C)C)[C@@H]([C@H]3O)O)C)[C@@H](C2)O)C)C=C1)C

subset

  • 2_STAR

synonym EXACT

  • (E)-N-[1-[(2R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-5-(dimethylamino)-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]-2-oxopyrimidin-4-yl]-3-methylsulanylprop-2-enamide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:199764

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